PubChemLite - Tesevatinib (C24H25Cl2FN4O2)

Structural Information

Molecular Formula

SMILES

CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC

InChI

InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+

InChIKey

HVXKQKFEHMGHSL-GOOCMWNKSA-N

Compound name

7-[[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	491.14113	213.9
[M+Na]+	513.12307	227.9
[M+NH4]+	508.16767	221.0
[M+K]+	529.09701	222.1
[M-H]-	489.12657	218.0
[M+Na-2H]-	511.10852	217.9
[M]+	490.13330	217.5
[M]-	490.13440	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.14113

213.9

[M+Na]+

513.12307

227.9

[M+NH4]+

508.16767

221.0

[M+K]+

529.09701

222.1

[M-H]-

489.12657

218.0

[M+Na-2H]-

511.10852

217.9

[M]+

490.13330

217.5

[M]-

490.13440

217.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tesevatinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe